USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.25) USER MOD Single : A 12 MET CE :methyl 143:sc= -2.53! (180deg=-3.14) USER MOD Single : A 14 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.96) USER MOD Single : A 21 SER OG : rot 82:sc= 0.175 USER MOD Single : A 24 TYR OH : rot 107:sc= 0.881 USER MOD Single : A 29 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.28) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -7.82! (180deg=-10.8!) USER MOD Single : A 41 HIS : no HD1:sc= -0.08 X(o=-0.08,f=-0.07) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0574 K(o=-0.057,f=-0.87) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -9:sc= 0.157 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.059) USER MOD Single : A 58 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.41! C(o=-2.4!,f=-4!) USER MOD Single : A 71 CYS SG : rot -33:sc= 0.223 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.15 K(o=-1.2,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.8!) USER MOD Single : A 90 TYR OH : rot 87:sc= 0.261 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 6.226 -10.183 -12.176 1.00 0.00 N ATOM 106 CA ILE A 7 5.961 -8.777 -11.792 1.00 0.00 C ATOM 107 C ILE A 7 5.812 -8.608 -10.275 1.00 0.00 C ATOM 108 O ILE A 7 6.602 -7.885 -9.669 1.00 0.00 O ATOM 109 CB ILE A 7 4.832 -8.165 -12.667 1.00 0.00 C ATOM 110 CG1 ILE A 7 5.253 -6.807 -13.253 1.00 0.00 C ATOM 111 CG2 ILE A 7 3.415 -8.125 -12.068 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.534 -5.669 -12.263 1.00 0.00 C ATOM 0 HA ILE A 7 6.838 -8.171 -12.019 1.00 0.00 H new ATOM 0 HB ILE A 7 4.720 -8.891 -13.472 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.150 -6.962 -13.852 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.469 -6.476 -13.934 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.729 -7.674 -12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.087 -9.139 -11.841 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.424 -7.533 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.820 -4.772 -12.812 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.637 -5.466 -11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.345 -5.960 -11.595 1.00 0.00 H new ATOM 124 N LEU A 8 4.929 -9.422 -9.696 1.00 0.00 N ATOM 125 CA LEU A 8 4.524 -9.442 -8.286 1.00 0.00 C ATOM 126 C LEU A 8 3.990 -8.084 -7.819 1.00 0.00 C ATOM 127 O LEU A 8 4.638 -7.050 -7.967 1.00 0.00 O ATOM 128 CB LEU A 8 5.687 -9.905 -7.392 1.00 0.00 C ATOM 129 CG LEU A 8 5.597 -11.340 -6.861 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.423 -11.446 -5.896 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.497 -12.381 -7.976 1.00 0.00 C ATOM 0 H LEU A 8 4.442 -10.137 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 8 3.707 -10.158 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.614 -9.805 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.757 -9.228 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 8 6.525 -11.562 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.355 -12.465 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.572 -10.758 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.500 -11.191 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.436 -13.378 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.604 -12.191 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.379 -12.318 -8.613 1.00 0.00 H new ATOM 143 N TRP A 9 2.859 -8.135 -7.127 1.00 0.00 N ATOM 144 CA TRP A 9 2.300 -6.913 -6.514 1.00 0.00 C ATOM 145 C TRP A 9 3.141 -6.385 -5.340 1.00 0.00 C ATOM 146 O TRP A 9 3.396 -5.192 -5.271 1.00 0.00 O ATOM 147 CB TRP A 9 0.812 -7.041 -6.185 1.00 0.00 C ATOM 148 CG TRP A 9 -0.060 -7.111 -7.454 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.202 -6.584 -8.654 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.315 -7.676 -7.533 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.828 -6.773 -9.470 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.775 -7.443 -8.839 1.00 0.00 C ATOM 153 CE3 TRP A 9 -2.144 -8.281 -6.605 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.060 -7.820 -9.186 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.441 -8.623 -6.945 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.901 -8.388 -8.245 1.00 0.00 C ATOM 0 H TRP A 9 2.313 -8.983 -6.972 1.00 0.00 H new ATOM 0 HA TRP A 9 2.365 -6.141 -7.281 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.650 -7.936 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.501 -6.190 -5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.118 -6.078 -8.921 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.880 -6.450 -10.436 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.777 -8.487 -5.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.409 -7.670 -10.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.095 -9.069 -6.210 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.913 -8.650 -8.515 1.00 0.00 H new ATOM 167 N HIS A 10 3.908 -7.301 -4.745 1.00 0.00 N ATOM 168 CA HIS A 10 4.884 -6.998 -3.679 1.00 0.00 C ATOM 169 C HIS A 10 6.033 -6.098 -4.188 1.00 0.00 C ATOM 170 O HIS A 10 6.515 -5.216 -3.480 1.00 0.00 O ATOM 171 CB HIS A 10 5.344 -8.366 -3.140 1.00 0.00 C ATOM 172 CG HIS A 10 6.813 -8.523 -2.724 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.262 -8.725 -1.495 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.869 -8.448 -3.528 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.597 -8.729 -1.541 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.972 -8.537 -2.801 1.00 0.00 N ATOM 0 H HIS A 10 3.873 -8.291 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 10 4.446 -6.410 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.725 -8.609 -2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.132 -9.114 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.833 -8.333 -4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.258 -8.865 -0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.930 -8.471 -3.144 1.00 0.00 H new ATOM 184 N GLU A 11 6.438 -6.321 -5.441 1.00 0.00 N ATOM 185 CA GLU A 11 7.593 -5.632 -6.054 1.00 0.00 C ATOM 186 C GLU A 11 7.314 -4.137 -6.226 1.00 0.00 C ATOM 187 O GLU A 11 7.973 -3.297 -5.613 1.00 0.00 O ATOM 188 CB GLU A 11 7.952 -6.265 -7.402 1.00 0.00 C ATOM 189 CG GLU A 11 8.453 -7.705 -7.254 1.00 0.00 C ATOM 190 CD GLU A 11 9.896 -7.794 -6.762 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.107 -7.546 -5.554 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.742 -8.184 -7.593 1.00 0.00 O ATOM 0 H GLU A 11 5.979 -6.984 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 11 8.443 -5.746 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.077 -6.252 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.719 -5.664 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.805 -8.238 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.372 -8.211 -8.216 1.00 0.00 H new ATOM 199 N MET A 12 6.199 -3.858 -6.898 1.00 0.00 N ATOM 200 CA MET A 12 5.674 -2.488 -7.002 1.00 0.00 C ATOM 201 C MET A 12 5.208 -1.952 -5.638 1.00 0.00 C ATOM 202 O MET A 12 5.075 -0.747 -5.506 1.00 0.00 O ATOM 203 CB MET A 12 4.559 -2.395 -8.051 1.00 0.00 C ATOM 204 CG MET A 12 3.308 -3.170 -7.632 1.00 0.00 C ATOM 205 SD MET A 12 2.115 -3.546 -8.956 1.00 0.00 S ATOM 206 CE MET A 12 3.146 -4.704 -9.828 1.00 0.00 C ATOM 0 H MET A 12 5.638 -4.559 -7.381 1.00 0.00 H new ATOM 0 HA MET A 12 6.494 -1.852 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.300 -1.349 -8.212 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.924 -2.783 -9.002 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.623 -4.109 -7.178 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.794 -2.599 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.531 -5.513 -10.222 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.648 -4.196 -10.651 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.891 -5.113 -9.146 1.00 0.00 H new ATOM 216 N TRP A 13 4.893 -2.828 -4.679 1.00 0.00 N ATOM 217 CA TRP A 13 4.480 -2.416 -3.323 1.00 0.00 C ATOM 218 C TRP A 13 5.560 -1.629 -2.588 1.00 0.00 C ATOM 219 O TRP A 13 5.286 -0.507 -2.195 1.00 0.00 O ATOM 220 CB TRP A 13 3.990 -3.598 -2.485 1.00 0.00 C ATOM 221 CG TRP A 13 2.483 -3.894 -2.575 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.830 -4.673 -1.711 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.588 -3.547 -3.573 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.577 -4.834 -2.126 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.374 -4.174 -3.251 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.669 -2.833 -4.751 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.704 -4.050 -4.109 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.598 -2.717 -5.610 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.609 -3.325 -5.280 1.00 0.00 C ATOM 0 H TRP A 13 4.915 -3.839 -4.814 1.00 0.00 H new ATOM 0 HA TRP A 13 3.637 -1.739 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.537 -4.490 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.244 -3.411 -1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.252 -5.105 -0.816 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.129 -5.390 -1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.600 -2.350 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.638 -4.530 -3.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.695 -2.160 -6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.464 -3.231 -5.934 1.00 0.00 H new ATOM 240 N HIS A 14 6.808 -2.045 -2.770 1.00 0.00 N ATOM 241 CA HIS A 14 7.972 -1.335 -2.207 1.00 0.00 C ATOM 242 C HIS A 14 8.026 0.137 -2.656 1.00 0.00 C ATOM 243 O HIS A 14 7.687 1.038 -1.895 1.00 0.00 O ATOM 244 CB HIS A 14 9.245 -2.072 -2.615 1.00 0.00 C ATOM 245 CG HIS A 14 10.027 -2.550 -1.391 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.639 -3.726 -1.319 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.392 -1.819 -0.343 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.409 -3.710 -0.234 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.252 -2.539 0.371 1.00 0.00 N ATOM 0 H HIS A 14 7.051 -2.878 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 14 7.880 -1.326 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.988 -2.926 -3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.872 -1.413 -3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.052 -0.820 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.052 -4.512 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.711 -2.243 1.233 1.00 0.00 H new ATOM 257 N GLU A 15 8.210 0.325 -3.963 1.00 0.00 N ATOM 258 CA GLU A 15 8.248 1.658 -4.598 1.00 0.00 C ATOM 259 C GLU A 15 6.913 2.401 -4.570 1.00 0.00 C ATOM 260 O GLU A 15 6.887 3.590 -4.281 1.00 0.00 O ATOM 261 CB GLU A 15 8.722 1.554 -6.043 1.00 0.00 C ATOM 262 CG GLU A 15 10.249 1.508 -6.115 1.00 0.00 C ATOM 263 CD GLU A 15 10.814 2.701 -6.895 1.00 0.00 C ATOM 264 OE1 GLU A 15 10.233 3.035 -7.953 1.00 0.00 O ATOM 265 OE2 GLU A 15 11.844 3.231 -6.431 1.00 0.00 O ATOM 0 H GLU A 15 8.338 -0.443 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 15 8.952 2.237 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.305 0.658 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.353 2.406 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.661 1.504 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.563 0.579 -6.591 1.00 0.00 H new ATOM 272 N GLY A 16 5.820 1.684 -4.831 1.00 0.00 N ATOM 273 CA GLY A 16 4.457 2.226 -4.728 1.00 0.00 C ATOM 274 C GLY A 16 4.149 2.766 -3.323 1.00 0.00 C ATOM 275 O GLY A 16 3.475 3.784 -3.187 1.00 0.00 O ATOM 0 H GLY A 16 5.851 0.707 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.330 3.025 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.738 1.446 -4.981 1.00 0.00 H new ATOM 279 N LEU A 17 4.736 2.133 -2.314 1.00 0.00 N ATOM 280 CA LEU A 17 4.706 2.628 -0.932 1.00 0.00 C ATOM 281 C LEU A 17 5.748 3.708 -0.677 1.00 0.00 C ATOM 282 O LEU A 17 5.416 4.689 -0.042 1.00 0.00 O ATOM 283 CB LEU A 17 4.825 1.486 0.078 1.00 0.00 C ATOM 284 CG LEU A 17 3.508 0.712 0.097 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.695 -0.654 0.737 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.463 1.480 0.894 1.00 0.00 C ATOM 0 H LEU A 17 5.249 1.259 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 17 3.731 3.094 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.648 0.825 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.047 1.880 1.070 1.00 0.00 H new ATOM 0 HG LEU A 17 3.178 0.588 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.745 -1.188 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.430 -1.224 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.045 -0.531 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.528 0.920 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.813 1.616 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.299 2.455 0.434 1.00 0.00 H new ATOM 298 N GLU A 18 6.861 3.681 -1.403 1.00 0.00 N ATOM 299 CA GLU A 18 7.915 4.704 -1.294 1.00 0.00 C ATOM 300 C GLU A 18 7.435 6.019 -1.918 1.00 0.00 C ATOM 301 O GLU A 18 7.154 6.932 -1.165 1.00 0.00 O ATOM 302 CB GLU A 18 9.220 4.249 -1.943 1.00 0.00 C ATOM 303 CG GLU A 18 10.387 5.127 -1.475 1.00 0.00 C ATOM 304 CD GLU A 18 11.320 4.358 -0.536 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.757 3.262 -0.950 1.00 0.00 O ATOM 306 OE2 GLU A 18 11.609 4.901 0.551 1.00 0.00 O ATOM 0 H GLU A 18 7.065 2.952 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 18 8.118 4.861 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.416 3.207 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.131 4.301 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.949 5.480 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.000 6.009 -0.964 1.00 0.00 H new ATOM 313 N GLU A 19 7.050 6.003 -3.196 1.00 0.00 N ATOM 314 CA GLU A 19 6.508 7.182 -3.905 1.00 0.00 C ATOM 315 C GLU A 19 5.301 7.800 -3.173 1.00 0.00 C ATOM 316 O GLU A 19 5.169 9.015 -3.139 1.00 0.00 O ATOM 317 CB GLU A 19 6.147 6.807 -5.350 1.00 0.00 C ATOM 318 CG GLU A 19 5.838 8.026 -6.236 1.00 0.00 C ATOM 319 CD GLU A 19 7.069 8.876 -6.577 1.00 0.00 C ATOM 320 OE1 GLU A 19 7.738 9.355 -5.634 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.312 9.033 -7.792 1.00 0.00 O ATOM 0 H GLU A 19 7.103 5.168 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 19 7.285 7.946 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.972 6.247 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.281 6.145 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.378 7.682 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.104 8.654 -5.730 1.00 0.00 H new ATOM 328 N ALA A 20 4.585 6.975 -2.414 1.00 0.00 N ATOM 329 CA ALA A 20 3.440 7.378 -1.581 1.00 0.00 C ATOM 330 C ALA A 20 3.832 7.907 -0.196 1.00 0.00 C ATOM 331 O ALA A 20 3.610 9.072 0.137 1.00 0.00 O ATOM 332 CB ALA A 20 2.574 6.143 -1.416 1.00 0.00 C ATOM 0 H ALA A 20 4.786 5.977 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 20 2.927 8.202 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.706 6.386 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.242 5.798 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.151 5.356 -0.931 1.00 0.00 H new ATOM 338 N SER A 21 4.481 7.048 0.577 1.00 0.00 N ATOM 339 CA SER A 21 4.994 7.352 1.922 1.00 0.00 C ATOM 340 C SER A 21 5.988 8.514 1.865 1.00 0.00 C ATOM 341 O SER A 21 5.919 9.361 2.740 1.00 0.00 O ATOM 342 CB SER A 21 5.628 6.124 2.589 1.00 0.00 C ATOM 343 OG SER A 21 4.651 5.081 2.708 1.00 0.00 O ATOM 0 H SER A 21 4.675 6.090 0.285 1.00 0.00 H new ATOM 0 HA SER A 21 4.144 7.647 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.476 5.775 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.012 6.390 3.574 1.00 0.00 H new ATOM 0 HG SER A 21 4.584 4.597 1.859 1.00 0.00 H new ATOM 349 N ARG A 22 6.647 8.705 0.720 1.00 0.00 N ATOM 350 CA ARG A 22 7.517 9.856 0.400 1.00 0.00 C ATOM 351 C ARG A 22 6.721 11.080 -0.083 1.00 0.00 C ATOM 352 O ARG A 22 7.090 12.212 0.215 1.00 0.00 O ATOM 353 CB ARG A 22 8.525 9.471 -0.688 1.00 0.00 C ATOM 354 CG ARG A 22 9.643 10.501 -0.825 1.00 0.00 C ATOM 355 CD ARG A 22 10.973 9.806 -0.573 1.00 0.00 C ATOM 356 NE ARG A 22 11.770 10.634 0.344 1.00 0.00 N ATOM 357 CZ ARG A 22 12.994 10.342 0.787 1.00 0.00 C ATOM 358 NH1 ARG A 22 13.626 9.239 0.406 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.605 11.162 1.624 1.00 0.00 N ATOM 0 H ARG A 22 6.591 8.036 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 22 8.030 10.124 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.956 8.498 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.007 9.369 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.630 10.944 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.499 11.313 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.808 8.818 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.507 9.660 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 22 11.352 11.506 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.176 8.591 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.562 9.039 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.141 12.017 1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.541 10.940 1.964 1.00 0.00 H new ATOM 373 N LEU A 23 5.599 10.877 -0.770 1.00 0.00 N ATOM 374 CA LEU A 23 4.705 12.003 -1.108 1.00 0.00 C ATOM 375 C LEU A 23 4.226 12.762 0.137 1.00 0.00 C ATOM 376 O LEU A 23 4.224 13.985 0.132 1.00 0.00 O ATOM 377 CB LEU A 23 3.539 11.558 -1.992 1.00 0.00 C ATOM 378 CG LEU A 23 3.877 11.761 -3.474 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.044 10.842 -4.367 1.00 0.00 C ATOM 380 CD2 LEU A 23 3.616 13.214 -3.875 1.00 0.00 C ATOM 0 H LEU A 23 5.284 9.966 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 23 5.297 12.708 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.314 10.508 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.644 12.126 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 23 4.931 11.518 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.308 11.011 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.244 9.803 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.985 11.056 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.859 13.350 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.565 13.454 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.238 13.875 -3.272 1.00 0.00 H new ATOM 392 N TYR A 24 4.119 12.047 1.254 1.00 0.00 N ATOM 393 CA TYR A 24 3.830 12.632 2.574 1.00 0.00 C ATOM 394 C TYR A 24 5.073 12.884 3.446 1.00 0.00 C ATOM 395 O TYR A 24 5.265 13.975 3.961 1.00 0.00 O ATOM 396 CB TYR A 24 2.839 11.713 3.285 1.00 0.00 C ATOM 397 CG TYR A 24 2.854 11.854 4.807 1.00 0.00 C ATOM 398 CD1 TYR A 24 2.208 12.921 5.419 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.575 10.942 5.580 1.00 0.00 C ATOM 400 CE1 TYR A 24 2.259 13.067 6.792 1.00 0.00 C ATOM 401 CE2 TYR A 24 3.633 11.092 6.952 1.00 0.00 C ATOM 402 CZ TYR A 24 2.962 12.146 7.566 1.00 0.00 C ATOM 403 OH TYR A 24 2.824 12.160 8.912 1.00 0.00 O ATOM 0 H TYR A 24 4.231 11.033 1.275 1.00 0.00 H new ATOM 0 HA TYR A 24 3.408 13.624 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.834 11.924 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.063 10.679 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.665 13.638 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.088 10.119 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.754 13.896 7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.199 10.392 7.548 1.00 0.00 H new ATOM 0 HH TYR A 24 2.286 11.391 9.194 1.00 0.00 H new ATOM 413 N PHE A 25 5.837 11.834 3.722 1.00 0.00 N ATOM 414 CA PHE A 25 7.023 11.924 4.593 1.00 0.00 C ATOM 415 C PHE A 25 8.174 12.726 3.956 1.00 0.00 C ATOM 416 O PHE A 25 9.216 12.955 4.565 1.00 0.00 O ATOM 417 CB PHE A 25 7.470 10.503 4.944 1.00 0.00 C ATOM 418 CG PHE A 25 7.873 10.392 6.404 1.00 0.00 C ATOM 419 CD1 PHE A 25 9.120 10.864 6.801 1.00 0.00 C ATOM 420 CD2 PHE A 25 7.045 9.754 7.323 1.00 0.00 C ATOM 421 CE1 PHE A 25 9.533 10.713 8.108 1.00 0.00 C ATOM 422 CE2 PHE A 25 7.463 9.590 8.628 1.00 0.00 C ATOM 423 CZ PHE A 25 8.713 10.076 9.029 1.00 0.00 C ATOM 0 H PHE A 25 5.661 10.898 3.356 1.00 0.00 H new ATOM 0 HA PHE A 25 6.750 12.470 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.661 9.804 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.310 10.218 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.766 11.350 6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.077 9.388 7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.497 11.091 8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.826 9.087 9.340 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.038 9.956 10.052 1.00 0.00 H new ATOM 433 N GLY A 26 7.980 13.087 2.685 1.00 0.00 N ATOM 434 CA GLY A 26 8.927 13.912 1.916 1.00 0.00 C ATOM 435 C GLY A 26 8.297 15.222 1.427 1.00 0.00 C ATOM 436 O GLY A 26 8.984 16.235 1.372 1.00 0.00 O ATOM 0 H GLY A 26 7.154 12.814 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.794 14.138 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.288 13.343 1.059 1.00 0.00 H new ATOM 440 N GLU A 27 7.031 15.175 1.000 1.00 0.00 N ATOM 441 CA GLU A 27 6.362 16.379 0.452 1.00 0.00 C ATOM 442 C GLU A 27 5.087 16.799 1.212 1.00 0.00 C ATOM 443 O GLU A 27 4.368 17.700 0.782 1.00 0.00 O ATOM 444 CB GLU A 27 6.015 16.211 -1.044 1.00 0.00 C ATOM 445 CG GLU A 27 6.830 15.202 -1.874 1.00 0.00 C ATOM 446 CD GLU A 27 8.356 15.320 -1.783 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.859 16.440 -1.547 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.994 14.254 -1.938 1.00 0.00 O ATOM 0 H GLU A 27 6.450 14.337 1.018 1.00 0.00 H new ATOM 0 HA GLU A 27 7.097 17.174 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.965 15.926 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.112 17.187 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.546 14.196 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.541 15.307 -2.920 1.00 0.00 H new ATOM 455 N ARG A 28 4.764 16.075 2.284 1.00 0.00 N ATOM 456 CA ARG A 28 3.511 16.193 3.070 1.00 0.00 C ATOM 457 C ARG A 28 2.235 16.320 2.229 1.00 0.00 C ATOM 458 O ARG A 28 1.159 16.708 2.683 1.00 0.00 O ATOM 459 CB ARG A 28 3.618 17.275 4.144 1.00 0.00 C ATOM 460 CG ARG A 28 4.566 16.802 5.244 1.00 0.00 C ATOM 461 CD ARG A 28 4.308 17.582 6.526 1.00 0.00 C ATOM 462 NE ARG A 28 4.231 16.614 7.632 1.00 0.00 N ATOM 463 CZ ARG A 28 4.176 16.918 8.930 1.00 0.00 C ATOM 464 NH1 ARG A 28 4.231 18.176 9.346 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.113 15.957 9.838 1.00 0.00 N ATOM 0 H ARG A 28 5.387 15.357 2.653 1.00 0.00 H new ATOM 0 HA ARG A 28 3.400 15.234 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.985 18.203 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.634 17.487 4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.425 15.736 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.600 16.938 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.107 18.302 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.380 18.149 6.449 1.00 0.00 H new ATOM 0 HE ARG A 28 4.219 15.625 7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.317 18.934 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.187 18.386 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.106 14.980 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.071 16.194 10.829 1.00 0.00 H new ATOM 479 N ASN A 29 2.330 15.673 1.077 1.00 0.00 N ATOM 480 CA ASN A 29 1.290 15.698 0.057 1.00 0.00 C ATOM 481 C ASN A 29 0.607 14.335 0.094 1.00 0.00 C ATOM 482 O ASN A 29 0.753 13.467 -0.768 1.00 0.00 O ATOM 483 CB ASN A 29 1.914 16.009 -1.307 1.00 0.00 C ATOM 484 CG ASN A 29 0.950 16.785 -2.212 1.00 0.00 C ATOM 485 OD1 ASN A 29 1.345 17.537 -3.088 1.00 0.00 O ATOM 486 ND2 ASN A 29 -0.344 16.648 -2.007 1.00 0.00 N ATOM 0 H ASN A 29 3.140 15.109 0.820 1.00 0.00 H new ATOM 0 HA ASN A 29 0.549 16.477 0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.826 16.589 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.201 15.078 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.009 17.169 -2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.681 16.021 -1.276 1.00 0.00 H new ATOM 493 N VAL A 30 -0.238 14.243 1.113 1.00 0.00 N ATOM 494 CA VAL A 30 -1.117 13.078 1.328 1.00 0.00 C ATOM 495 C VAL A 30 -2.027 12.866 0.102 1.00 0.00 C ATOM 496 O VAL A 30 -2.161 11.752 -0.397 1.00 0.00 O ATOM 497 CB VAL A 30 -1.943 13.283 2.605 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.929 12.133 2.778 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.058 13.392 3.852 1.00 0.00 C ATOM 0 H VAL A 30 -0.341 14.970 1.821 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.509 12.182 1.452 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.483 14.224 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.511 12.286 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.599 12.096 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.382 11.193 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.685 13.536 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.477 12.477 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.382 14.240 3.745 1.00 0.00 H new ATOM 509 N LYS A 31 -2.481 13.983 -0.460 1.00 0.00 N ATOM 510 CA LYS A 31 -3.274 14.006 -1.704 1.00 0.00 C ATOM 511 C LYS A 31 -2.507 13.318 -2.855 1.00 0.00 C ATOM 512 O LYS A 31 -3.090 12.560 -3.629 1.00 0.00 O ATOM 513 CB LYS A 31 -3.607 15.486 -1.957 1.00 0.00 C ATOM 514 CG LYS A 31 -4.308 15.866 -3.266 1.00 0.00 C ATOM 515 CD LYS A 31 -3.350 15.792 -4.459 1.00 0.00 C ATOM 516 CE LYS A 31 -3.529 16.944 -5.435 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.998 16.533 -6.738 1.00 0.00 N ATOM 0 H LYS A 31 -2.312 14.910 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.201 13.437 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.233 15.830 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.675 16.049 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.153 15.198 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.711 16.875 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.323 15.788 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.505 14.850 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.583 17.208 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.007 17.831 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.112 17.310 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.989 16.300 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.516 15.697 -7.076 1.00 0.00 H new ATOM 531 N GLY A 32 -1.183 13.532 -2.884 1.00 0.00 N ATOM 532 CA GLY A 32 -0.278 12.947 -3.892 1.00 0.00 C ATOM 533 C GLY A 32 -0.134 11.434 -3.698 1.00 0.00 C ATOM 534 O GLY A 32 -0.414 10.651 -4.604 1.00 0.00 O ATOM 0 H GLY A 32 -0.703 14.121 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.661 13.153 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.702 13.420 -3.823 1.00 0.00 H new ATOM 538 N MET A 33 0.248 11.035 -2.483 1.00 0.00 N ATOM 539 CA MET A 33 0.364 9.616 -2.078 1.00 0.00 C ATOM 540 C MET A 33 -0.899 8.793 -2.392 1.00 0.00 C ATOM 541 O MET A 33 -0.833 7.667 -2.877 1.00 0.00 O ATOM 542 CB MET A 33 0.743 9.588 -0.589 1.00 0.00 C ATOM 543 CG MET A 33 -0.353 9.406 0.469 1.00 0.00 C ATOM 544 SD MET A 33 -0.984 7.692 0.580 1.00 0.00 S ATOM 545 CE MET A 33 0.504 6.946 1.199 1.00 0.00 C ATOM 0 H MET A 33 0.490 11.688 -1.738 1.00 0.00 H new ATOM 0 HA MET A 33 1.143 9.131 -2.665 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.466 8.784 -0.452 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.259 10.522 -0.366 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.039 9.704 1.441 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.182 10.076 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.535 5.897 0.904 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.370 7.465 0.787 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.522 7.018 2.286 1.00 0.00 H new ATOM 555 N PHE A 34 -2.027 9.488 -2.292 1.00 0.00 N ATOM 556 CA PHE A 34 -3.372 8.958 -2.550 1.00 0.00 C ATOM 557 C PHE A 34 -3.593 8.598 -4.027 1.00 0.00 C ATOM 558 O PHE A 34 -4.416 7.738 -4.339 1.00 0.00 O ATOM 559 CB PHE A 34 -4.375 10.025 -2.122 1.00 0.00 C ATOM 560 CG PHE A 34 -5.538 9.384 -1.386 1.00 0.00 C ATOM 561 CD1 PHE A 34 -6.565 8.769 -2.098 1.00 0.00 C ATOM 562 CD2 PHE A 34 -5.556 9.389 0.004 1.00 0.00 C ATOM 563 CE1 PHE A 34 -7.614 8.178 -1.420 1.00 0.00 C ATOM 564 CE2 PHE A 34 -6.598 8.788 0.676 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.640 8.185 -0.028 1.00 0.00 C ATOM 0 H PHE A 34 -2.036 10.471 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.500 8.035 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.887 10.757 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.740 10.563 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.542 8.754 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.757 9.862 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.416 7.709 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.608 8.784 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.461 7.727 0.503 1.00 0.00 H new ATOM 575 N GLU A 35 -2.784 9.193 -4.898 1.00 0.00 N ATOM 576 CA GLU A 35 -2.832 8.986 -6.356 1.00 0.00 C ATOM 577 C GLU A 35 -1.911 7.836 -6.793 1.00 0.00 C ATOM 578 O GLU A 35 -2.235 7.144 -7.749 1.00 0.00 O ATOM 579 CB GLU A 35 -2.445 10.286 -7.068 1.00 0.00 C ATOM 580 CG GLU A 35 -2.837 10.277 -8.551 1.00 0.00 C ATOM 581 CD GLU A 35 -1.621 10.382 -9.474 1.00 0.00 C ATOM 582 OE1 GLU A 35 -0.977 11.454 -9.441 1.00 0.00 O ATOM 583 OE2 GLU A 35 -1.360 9.393 -10.191 1.00 0.00 O ATOM 0 H GLU A 35 -2.057 9.849 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.849 8.709 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.929 11.127 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.369 10.440 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.382 9.360 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.514 11.107 -8.750 1.00 0.00 H new ATOM 590 N VAL A 36 -0.817 7.616 -6.064 1.00 0.00 N ATOM 591 CA VAL A 36 0.084 6.477 -6.332 1.00 0.00 C ATOM 592 C VAL A 36 -0.395 5.193 -5.621 1.00 0.00 C ATOM 593 O VAL A 36 -0.263 4.107 -6.172 1.00 0.00 O ATOM 594 CB VAL A 36 1.548 6.876 -6.059 1.00 0.00 C ATOM 595 CG1 VAL A 36 1.816 7.146 -4.585 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.548 5.867 -6.624 1.00 0.00 C ATOM 0 H VAL A 36 -0.527 8.205 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 36 0.046 6.221 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 36 1.699 7.814 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.862 7.423 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.178 7.961 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.601 6.248 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.563 6.198 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.377 4.891 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.418 5.791 -7.704 1.00 0.00 H new ATOM 606 N LEU A 37 -1.113 5.367 -4.509 1.00 0.00 N ATOM 607 CA LEU A 37 -1.758 4.279 -3.750 1.00 0.00 C ATOM 608 C LEU A 37 -3.136 3.902 -4.318 1.00 0.00 C ATOM 609 O LEU A 37 -3.526 2.739 -4.267 1.00 0.00 O ATOM 610 CB LEU A 37 -1.878 4.647 -2.264 1.00 0.00 C ATOM 611 CG LEU A 37 -1.217 3.683 -1.261 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.689 2.237 -1.407 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.301 3.733 -1.329 1.00 0.00 C ATOM 0 H LEU A 37 -1.269 6.287 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.116 3.404 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.445 5.637 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.937 4.724 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.539 4.039 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.183 1.613 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.766 2.188 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.455 1.877 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.721 3.036 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.630 3.456 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.642 4.743 -1.102 1.00 0.00 H new ATOM 625 N GLU A 38 -3.779 4.847 -5.010 1.00 0.00 N ATOM 626 CA GLU A 38 -5.019 4.595 -5.775 1.00 0.00 C ATOM 627 C GLU A 38 -4.904 3.362 -6.699 1.00 0.00 C ATOM 628 O GLU A 38 -5.679 2.421 -6.484 1.00 0.00 O ATOM 629 CB GLU A 38 -5.423 5.839 -6.575 1.00 0.00 C ATOM 630 CG GLU A 38 -6.778 6.397 -6.145 1.00 0.00 C ATOM 631 CD GLU A 38 -7.533 6.933 -7.364 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.789 6.106 -8.267 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.879 8.132 -7.342 1.00 0.00 O ATOM 0 H GLU A 38 -3.459 5.814 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.802 4.374 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.661 6.609 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.456 5.590 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.364 5.617 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.637 7.194 -5.415 1.00 0.00 H new ATOM 640 N PRO A 39 -3.879 3.245 -7.572 1.00 0.00 N ATOM 641 CA PRO A 39 -3.671 2.037 -8.381 1.00 0.00 C ATOM 642 C PRO A 39 -3.159 0.862 -7.546 1.00 0.00 C ATOM 643 O PRO A 39 -3.694 -0.225 -7.709 1.00 0.00 O ATOM 644 CB PRO A 39 -2.708 2.436 -9.498 1.00 0.00 C ATOM 645 CG PRO A 39 -1.856 3.523 -8.856 1.00 0.00 C ATOM 646 CD PRO A 39 -2.848 4.239 -7.939 1.00 0.00 C ATOM 0 HA PRO A 39 -4.611 1.677 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.102 1.592 -9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.240 2.807 -10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.020 3.103 -8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.435 4.198 -9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.347 4.623 -7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.297 5.093 -8.446 1.00 0.00 H new ATOM 654 N LEU A 40 -2.336 1.103 -6.526 1.00 0.00 N ATOM 655 CA LEU A 40 -1.858 0.027 -5.627 1.00 0.00 C ATOM 656 C LEU A 40 -2.984 -0.655 -4.818 1.00 0.00 C ATOM 657 O LEU A 40 -2.840 -1.773 -4.336 1.00 0.00 O ATOM 658 CB LEU A 40 -0.790 0.566 -4.679 1.00 0.00 C ATOM 659 CG LEU A 40 0.333 1.330 -5.378 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.093 2.043 -4.280 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.309 0.465 -6.178 1.00 0.00 C ATOM 0 H LEU A 40 -1.981 2.030 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.435 -0.741 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.264 1.224 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.358 -0.267 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.119 1.994 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.915 2.611 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.421 2.722 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.491 1.310 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.068 1.100 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.789 -0.252 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.766 -0.070 -6.957 1.00 0.00 H new ATOM 673 N HIS A 41 -4.105 0.041 -4.666 1.00 0.00 N ATOM 674 CA HIS A 41 -5.349 -0.521 -4.102 1.00 0.00 C ATOM 675 C HIS A 41 -6.165 -1.294 -5.150 1.00 0.00 C ATOM 676 O HIS A 41 -6.553 -2.437 -4.923 1.00 0.00 O ATOM 677 CB HIS A 41 -6.127 0.649 -3.508 1.00 0.00 C ATOM 678 CG HIS A 41 -7.643 0.473 -3.320 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.539 1.292 -3.858 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.285 -0.522 -2.723 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.748 0.786 -3.615 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.590 -0.331 -2.917 1.00 0.00 N ATOM 0 H HIS A 41 -4.187 1.023 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.122 -1.258 -3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.693 0.882 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.966 1.518 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.833 -1.338 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.690 1.210 -3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.339 -0.939 -2.586 1.00 0.00 H new ATOM 690 N ALA A 42 -6.342 -0.688 -6.322 1.00 0.00 N ATOM 691 CA ALA A 42 -7.096 -1.302 -7.436 1.00 0.00 C ATOM 692 C ALA A 42 -6.405 -2.570 -7.970 1.00 0.00 C ATOM 693 O ALA A 42 -7.031 -3.627 -8.071 1.00 0.00 O ATOM 694 CB ALA A 42 -7.298 -0.272 -8.548 1.00 0.00 C ATOM 0 H ALA A 42 -5.973 0.238 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.070 -1.614 -7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.854 -0.726 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.857 0.579 -8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.328 0.067 -8.911 1.00 0.00 H new ATOM 700 N MET A 43 -5.075 -2.499 -8.017 1.00 0.00 N ATOM 701 CA MET A 43 -4.155 -3.617 -8.307 1.00 0.00 C ATOM 702 C MET A 43 -4.162 -4.703 -7.220 1.00 0.00 C ATOM 703 O MET A 43 -3.459 -5.687 -7.342 1.00 0.00 O ATOM 704 CB MET A 43 -2.722 -3.096 -8.458 1.00 0.00 C ATOM 705 CG MET A 43 -2.502 -2.299 -9.743 1.00 0.00 C ATOM 706 SD MET A 43 -0.993 -1.270 -9.643 1.00 0.00 S ATOM 707 CE MET A 43 -0.873 -0.764 -11.344 1.00 0.00 C ATOM 0 H MET A 43 -4.579 -1.624 -7.847 1.00 0.00 H new ATOM 0 HA MET A 43 -4.509 -4.067 -9.235 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.479 -2.466 -7.602 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.032 -3.940 -8.439 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.422 -2.983 -10.588 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.366 -1.662 -9.930 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.001 -0.123 -11.472 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.773 -1.644 -11.979 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.772 -0.214 -11.624 1.00 0.00 H new ATOM 717 N MET A 44 -4.858 -4.470 -6.112 1.00 0.00 N ATOM 718 CA MET A 44 -5.045 -5.469 -5.047 1.00 0.00 C ATOM 719 C MET A 44 -6.461 -6.074 -5.104 1.00 0.00 C ATOM 720 O MET A 44 -6.646 -7.253 -4.800 1.00 0.00 O ATOM 721 CB MET A 44 -4.688 -4.787 -3.714 1.00 0.00 C ATOM 722 CG MET A 44 -5.222 -5.456 -2.445 1.00 0.00 C ATOM 723 SD MET A 44 -6.993 -5.089 -2.154 1.00 0.00 S ATOM 724 CE MET A 44 -7.539 -6.654 -1.507 1.00 0.00 C ATOM 0 H MET A 44 -5.314 -3.578 -5.919 1.00 0.00 H new ATOM 0 HA MET A 44 -4.385 -6.328 -5.171 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.602 -4.730 -3.639 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.060 -3.763 -3.743 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.085 -6.535 -2.521 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.639 -5.120 -1.588 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.603 -6.601 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.367 -7.434 -2.248 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.982 -6.887 -0.599 1.00 0.00 H new ATOM 734 N GLU A 45 -7.424 -5.262 -5.538 1.00 0.00 N ATOM 735 CA GLU A 45 -8.843 -5.649 -5.624 1.00 0.00 C ATOM 736 C GLU A 45 -9.134 -6.588 -6.804 1.00 0.00 C ATOM 737 O GLU A 45 -9.931 -7.507 -6.637 1.00 0.00 O ATOM 738 CB GLU A 45 -9.712 -4.388 -5.674 1.00 0.00 C ATOM 739 CG GLU A 45 -11.179 -4.690 -5.338 1.00 0.00 C ATOM 740 CD GLU A 45 -12.109 -4.869 -6.548 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.652 -5.366 -7.601 1.00 0.00 O ATOM 742 OE2 GLU A 45 -13.260 -4.403 -6.415 1.00 0.00 O ATOM 0 H GLU A 45 -7.245 -4.306 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.092 -6.220 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.323 -3.651 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.651 -3.944 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.217 -5.597 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.567 -3.880 -4.720 1.00 0.00 H new ATOM 749 N ARG A 46 -8.452 -6.369 -7.935 1.00 0.00 N ATOM 750 CA ARG A 46 -8.565 -7.221 -9.141 1.00 0.00 C ATOM 751 C ARG A 46 -8.539 -8.727 -8.819 1.00 0.00 C ATOM 752 O ARG A 46 -9.222 -9.521 -9.460 1.00 0.00 O ATOM 753 CB ARG A 46 -7.418 -6.911 -10.112 1.00 0.00 C ATOM 754 CG ARG A 46 -7.908 -7.007 -11.558 1.00 0.00 C ATOM 755 CD ARG A 46 -8.712 -5.751 -11.896 1.00 0.00 C ATOM 756 NE ARG A 46 -9.800 -6.048 -12.841 1.00 0.00 N ATOM 757 CZ ARG A 46 -10.647 -5.148 -13.351 1.00 0.00 C ATOM 758 NH1 ARG A 46 -10.549 -3.856 -13.067 1.00 0.00 N ATOM 759 NH2 ARG A 46 -11.618 -5.534 -14.163 1.00 0.00 N ATOM 0 H ARG A 46 -7.800 -5.592 -8.047 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.531 -6.991 -9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.028 -5.912 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.597 -7.610 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.061 -7.106 -12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.526 -7.896 -11.688 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.128 -5.326 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.051 -4.998 -12.325 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.918 -7.019 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.812 -3.525 -12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.210 -3.193 -13.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.722 -6.520 -14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.263 -4.845 -14.551 1.00 0.00 H new ATOM 773 N GLY A 47 -7.721 -9.061 -7.811 1.00 0.00 N ATOM 774 CA GLY A 47 -7.657 -10.424 -7.267 1.00 0.00 C ATOM 775 C GLY A 47 -6.328 -11.101 -7.627 1.00 0.00 C ATOM 776 O GLY A 47 -5.711 -10.747 -8.637 1.00 0.00 O ATOM 0 H GLY A 47 -7.091 -8.401 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.770 -10.392 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.486 -11.014 -7.657 1.00 0.00 H new ATOM 780 N PRO A 48 -5.835 -12.011 -6.778 1.00 0.00 N ATOM 781 CA PRO A 48 -4.588 -12.736 -7.071 1.00 0.00 C ATOM 782 C PRO A 48 -4.778 -13.690 -8.258 1.00 0.00 C ATOM 783 O PRO A 48 -5.859 -14.229 -8.477 1.00 0.00 O ATOM 784 CB PRO A 48 -4.248 -13.461 -5.774 1.00 0.00 C ATOM 785 CG PRO A 48 -5.602 -13.688 -5.100 1.00 0.00 C ATOM 786 CD PRO A 48 -6.420 -12.455 -5.494 1.00 0.00 C ATOM 0 HA PRO A 48 -3.773 -12.077 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.737 -14.404 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.587 -12.864 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.072 -14.608 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.501 -13.771 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.477 -12.699 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.350 -11.675 -4.736 1.00 0.00 H new ATOM 794 N GLN A 49 -3.726 -13.766 -9.066 1.00 0.00 N ATOM 795 CA GLN A 49 -3.687 -14.647 -10.249 1.00 0.00 C ATOM 796 C GLN A 49 -3.022 -15.993 -9.895 1.00 0.00 C ATOM 797 O GLN A 49 -3.714 -16.942 -9.550 1.00 0.00 O ATOM 798 CB GLN A 49 -3.000 -13.902 -11.408 1.00 0.00 C ATOM 799 CG GLN A 49 -2.812 -14.789 -12.649 1.00 0.00 C ATOM 800 CD GLN A 49 -3.722 -14.469 -13.830 1.00 0.00 C ATOM 801 OE1 GLN A 49 -4.661 -13.688 -13.787 1.00 0.00 O ATOM 802 NE2 GLN A 49 -3.380 -15.044 -14.959 1.00 0.00 N ATOM 0 H GLN A 49 -2.873 -13.224 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.696 -14.894 -10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.594 -13.028 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.028 -13.537 -11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.776 -14.707 -12.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.974 -15.827 -12.359 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.594 -15.694 -14.983 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.900 -14.841 -15.813 1.00 0.00 H new ATOM 811 N THR A 50 -1.693 -16.036 -10.036 1.00 0.00 N ATOM 812 CA THR A 50 -0.833 -17.199 -9.730 1.00 0.00 C ATOM 813 C THR A 50 -1.042 -17.668 -8.278 1.00 0.00 C ATOM 814 O THR A 50 -2.019 -18.348 -7.976 1.00 0.00 O ATOM 815 CB THR A 50 0.648 -16.935 -10.141 1.00 0.00 C ATOM 816 OG1 THR A 50 1.531 -17.890 -9.544 1.00 0.00 O ATOM 817 CG2 THR A 50 1.168 -15.519 -9.853 1.00 0.00 C ATOM 0 H THR A 50 -1.161 -15.236 -10.378 1.00 0.00 H new ATOM 0 HA THR A 50 -1.135 -18.047 -10.345 1.00 0.00 H new ATOM 0 HB THR A 50 0.641 -17.042 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.452 -17.701 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.206 -15.440 -10.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.563 -14.792 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.104 -15.319 -8.783 1.00 0.00 H new ATOM 825 N LEU A 51 -0.118 -17.270 -7.408 1.00 0.00 N ATOM 826 CA LEU A 51 -0.108 -17.547 -5.958 1.00 0.00 C ATOM 827 C LEU A 51 1.148 -16.953 -5.295 1.00 0.00 C ATOM 828 O LEU A 51 1.801 -17.554 -4.445 1.00 0.00 O ATOM 829 CB LEU A 51 -0.167 -19.064 -5.729 1.00 0.00 C ATOM 830 CG LEU A 51 -1.344 -19.415 -4.822 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.865 -20.808 -5.177 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.913 -19.375 -3.354 1.00 0.00 C ATOM 0 H LEU A 51 0.688 -16.718 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.980 -17.078 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.268 -19.580 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.764 -19.408 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.139 -18.684 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.705 -21.058 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.192 -20.820 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.070 -21.540 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.762 -19.627 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.111 -20.095 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.559 -18.374 -3.106 1.00 0.00 H new ATOM 844 N LYS A 52 1.546 -15.791 -5.804 1.00 0.00 N ATOM 845 CA LYS A 52 2.726 -15.084 -5.275 1.00 0.00 C ATOM 846 C LYS A 52 2.349 -13.718 -4.681 1.00 0.00 C ATOM 847 O LYS A 52 2.775 -13.359 -3.586 1.00 0.00 O ATOM 848 CB LYS A 52 3.807 -14.974 -6.357 1.00 0.00 C ATOM 849 CG LYS A 52 4.257 -16.322 -6.933 1.00 0.00 C ATOM 850 CD LYS A 52 5.556 -16.186 -7.732 1.00 0.00 C ATOM 851 CE LYS A 52 5.911 -17.505 -8.417 1.00 0.00 C ATOM 852 NZ LYS A 52 7.319 -17.521 -8.841 1.00 0.00 N ATOM 0 H LYS A 52 1.079 -15.315 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 52 3.140 -15.668 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.431 -14.352 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.674 -14.462 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.401 -17.036 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.474 -16.724 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.448 -15.400 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.367 -15.886 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.724 -18.334 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.266 -17.653 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.532 -18.428 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.489 -16.743 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.933 -17.403 -8.010 1.00 0.00 H new ATOM 866 N GLU A 53 1.479 -12.986 -5.382 1.00 0.00 N ATOM 867 CA GLU A 53 0.924 -11.695 -4.912 1.00 0.00 C ATOM 868 C GLU A 53 -0.199 -11.833 -3.860 1.00 0.00 C ATOM 869 O GLU A 53 -1.315 -11.335 -4.022 1.00 0.00 O ATOM 870 CB GLU A 53 0.517 -10.806 -6.102 1.00 0.00 C ATOM 871 CG GLU A 53 -0.522 -11.423 -7.051 1.00 0.00 C ATOM 872 CD GLU A 53 0.113 -11.752 -8.398 1.00 0.00 C ATOM 873 OE1 GLU A 53 0.883 -12.739 -8.411 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.123 -10.986 -9.353 1.00 0.00 O ATOM 0 H GLU A 53 1.132 -13.267 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 53 1.731 -11.194 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.121 -9.867 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.411 -10.562 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.936 -12.328 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.351 -10.729 -7.193 1.00 0.00 H new ATOM 881 N THR A 54 0.120 -12.533 -2.772 1.00 0.00 N ATOM 882 CA THR A 54 -0.823 -12.814 -1.659 1.00 0.00 C ATOM 883 C THR A 54 -0.076 -12.989 -0.318 1.00 0.00 C ATOM 884 O THR A 54 -0.398 -13.826 0.517 1.00 0.00 O ATOM 885 CB THR A 54 -1.753 -13.992 -2.055 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.506 -13.580 -3.196 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.782 -14.450 -1.014 1.00 0.00 C ATOM 0 H THR A 54 1.048 -12.931 -2.625 1.00 0.00 H new ATOM 0 HA THR A 54 -1.474 -11.957 -1.488 1.00 0.00 H new ATOM 0 HB THR A 54 -1.079 -14.835 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.362 -12.624 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.365 -15.278 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.266 -14.777 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.448 -13.622 -0.772 1.00 0.00 H new ATOM 895 N SER A 55 0.917 -12.129 -0.093 1.00 0.00 N ATOM 896 CA SER A 55 1.654 -12.105 1.194 1.00 0.00 C ATOM 897 C SER A 55 1.032 -11.118 2.191 1.00 0.00 C ATOM 898 O SER A 55 0.721 -11.461 3.330 1.00 0.00 O ATOM 899 CB SER A 55 3.133 -11.753 0.999 1.00 0.00 C ATOM 900 OG SER A 55 3.737 -12.684 0.101 1.00 0.00 O ATOM 0 H SER A 55 1.237 -11.439 -0.773 1.00 0.00 H new ATOM 0 HA SER A 55 1.580 -13.114 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.227 -10.741 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.650 -11.771 1.958 1.00 0.00 H new ATOM 0 HG SER A 55 4.682 -12.454 -0.022 1.00 0.00 H new ATOM 906 N PHE A 56 0.629 -9.969 1.652 1.00 0.00 N ATOM 907 CA PHE A 56 -0.041 -8.903 2.415 1.00 0.00 C ATOM 908 C PHE A 56 -1.500 -9.275 2.704 1.00 0.00 C ATOM 909 O PHE A 56 -1.827 -9.491 3.852 1.00 0.00 O ATOM 910 CB PHE A 56 0.075 -7.543 1.713 1.00 0.00 C ATOM 911 CG PHE A 56 -0.578 -7.534 0.336 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.148 -7.947 -0.778 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.934 -7.242 0.212 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.477 -8.056 -2.009 1.00 0.00 C ATOM 915 CE2 PHE A 56 -2.559 -7.374 -1.010 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.831 -7.772 -2.131 1.00 0.00 C ATOM 0 H PHE A 56 0.757 -9.744 0.665 1.00 0.00 H new ATOM 0 HA PHE A 56 0.471 -8.805 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.388 -6.777 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.128 -7.279 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.198 -8.182 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.496 -6.912 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.090 -8.362 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.616 -7.169 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.319 -7.859 -3.091 1.00 0.00 H new ATOM 926 N ASN A 57 -2.245 -9.679 1.672 1.00 0.00 N ATOM 927 CA ASN A 57 -3.641 -10.134 1.826 1.00 0.00 C ATOM 928 C ASN A 57 -3.783 -11.373 2.734 1.00 0.00 C ATOM 929 O ASN A 57 -4.861 -11.653 3.253 1.00 0.00 O ATOM 930 CB ASN A 57 -4.233 -10.392 0.435 1.00 0.00 C ATOM 931 CG ASN A 57 -5.705 -10.803 0.508 1.00 0.00 C ATOM 932 OD1 ASN A 57 -6.527 -10.223 1.202 1.00 0.00 O ATOM 933 ND2 ASN A 57 -6.049 -11.832 -0.228 1.00 0.00 N ATOM 0 H ASN A 57 -1.906 -9.702 0.710 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.198 -9.344 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.137 -9.492 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.662 -11.175 -0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.015 -12.160 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.351 -12.305 -0.802 1.00 0.00 H new ATOM 940 N GLN A 58 -2.669 -12.072 2.940 1.00 0.00 N ATOM 941 CA GLN A 58 -2.617 -13.253 3.813 1.00 0.00 C ATOM 942 C GLN A 58 -2.691 -12.897 5.309 1.00 0.00 C ATOM 943 O GLN A 58 -3.520 -13.439 6.035 1.00 0.00 O ATOM 944 CB GLN A 58 -1.345 -14.051 3.518 1.00 0.00 C ATOM 945 CG GLN A 58 -1.657 -15.523 3.229 1.00 0.00 C ATOM 946 CD GLN A 58 -2.487 -16.154 4.350 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.045 -16.326 5.478 1.00 0.00 O ATOM 948 NE2 GLN A 58 -3.750 -16.393 4.082 1.00 0.00 N ATOM 0 H GLN A 58 -1.774 -11.839 2.509 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.497 -13.858 3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.830 -13.613 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.666 -13.982 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.198 -15.602 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.725 -16.076 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.108 -16.246 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.373 -16.725 4.818 1.00 0.00 H new ATOM 957 N ALA A 59 -1.913 -11.890 5.708 1.00 0.00 N ATOM 958 CA ALA A 59 -1.840 -11.428 7.112 1.00 0.00 C ATOM 959 C ALA A 59 -2.212 -9.945 7.267 1.00 0.00 C ATOM 960 O ALA A 59 -3.207 -9.586 7.901 1.00 0.00 O ATOM 961 CB ALA A 59 -0.435 -11.702 7.663 1.00 0.00 C ATOM 0 H ALA A 59 -1.312 -11.365 5.073 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.577 -11.987 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.377 -11.363 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.229 -12.772 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.302 -11.166 7.064 1.00 0.00 H new ATOM 967 N TYR A 60 -1.545 -9.125 6.468 1.00 0.00 N ATOM 968 CA TYR A 60 -1.731 -7.669 6.324 1.00 0.00 C ATOM 969 C TYR A 60 -2.921 -7.372 5.377 1.00 0.00 C ATOM 970 O TYR A 60 -2.856 -6.510 4.496 1.00 0.00 O ATOM 971 CB TYR A 60 -0.429 -7.080 5.746 1.00 0.00 C ATOM 972 CG TYR A 60 0.889 -7.694 6.217 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.038 -8.196 7.509 1.00 0.00 C ATOM 974 CD2 TYR A 60 1.882 -7.932 5.269 1.00 0.00 C ATOM 975 CE1 TYR A 60 2.143 -8.947 7.842 1.00 0.00 C ATOM 976 CE2 TYR A 60 2.993 -8.679 5.599 1.00 0.00 C ATOM 977 CZ TYR A 60 3.128 -9.186 6.885 1.00 0.00 C ATOM 978 OH TYR A 60 4.222 -9.906 7.209 1.00 0.00 O ATOM 0 H TYR A 60 -0.806 -9.473 5.857 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.952 -7.219 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.472 -7.167 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.408 -6.016 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.282 -7.995 8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.781 -7.530 4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.246 -9.349 8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.756 -8.869 4.859 1.00 0.00 H new ATOM 0 HH TYR A 60 4.808 -9.980 6.427 1.00 0.00 H new ATOM 988 N GLY A 61 -4.024 -8.109 5.573 1.00 0.00 N ATOM 989 CA GLY A 61 -5.297 -7.911 4.838 1.00 0.00 C ATOM 990 C GLY A 61 -5.880 -6.493 5.006 1.00 0.00 C ATOM 991 O GLY A 61 -6.658 -6.014 4.188 1.00 0.00 O ATOM 0 H GLY A 61 -4.065 -8.869 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.132 -8.106 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.028 -8.641 5.186 1.00 0.00 H new ATOM 995 N ARG A 62 -5.360 -5.797 6.014 1.00 0.00 N ATOM 996 CA ARG A 62 -5.732 -4.415 6.371 1.00 0.00 C ATOM 997 C ARG A 62 -4.603 -3.400 6.136 1.00 0.00 C ATOM 998 O ARG A 62 -4.724 -2.234 6.504 1.00 0.00 O ATOM 999 CB ARG A 62 -6.094 -4.374 7.851 1.00 0.00 C ATOM 1000 CG ARG A 62 -7.379 -5.140 8.134 1.00 0.00 C ATOM 1001 CD ARG A 62 -7.570 -5.195 9.641 1.00 0.00 C ATOM 1002 NE ARG A 62 -8.812 -5.920 9.934 1.00 0.00 N ATOM 1003 CZ ARG A 62 -9.439 -5.933 11.109 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -8.976 -5.253 12.150 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -10.558 -6.620 11.251 1.00 0.00 N ATOM 0 H ARG A 62 -4.645 -6.185 6.629 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.568 -4.137 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.279 -4.799 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.209 -3.338 8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.228 -4.648 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.322 -6.147 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.722 -5.693 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.615 -4.187 10.053 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.230 -6.458 9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.121 -4.704 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.475 -5.279 13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.941 -7.140 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.039 -6.631 12.150 1.00 0.00 H new ATOM 1019 N ASP A 63 -3.559 -3.843 5.439 1.00 0.00 N ATOM 1020 CA ASP A 63 -2.387 -3.014 5.110 1.00 0.00 C ATOM 1021 C ASP A 63 -2.764 -1.912 4.098 1.00 0.00 C ATOM 1022 O ASP A 63 -3.850 -1.357 4.210 1.00 0.00 O ATOM 1023 CB ASP A 63 -1.328 -3.987 4.618 1.00 0.00 C ATOM 1024 CG ASP A 63 0.040 -3.356 4.736 1.00 0.00 C ATOM 1025 OD1 ASP A 63 0.511 -3.241 5.885 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.472 -2.884 3.662 1.00 0.00 O ATOM 0 H ASP A 63 -3.496 -4.796 5.080 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.999 -2.461 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.366 -4.907 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.525 -4.260 3.581 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.963 -1.663 3.057 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.294 -0.675 2.007 1.00 0.00 C ATOM 1033 C LEU A 64 -3.744 -0.796 1.487 1.00 0.00 C ATOM 1034 O LEU A 64 -4.417 0.214 1.325 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.298 -0.736 0.841 1.00 0.00 C ATOM 1036 CG LEU A 64 -1.577 -1.875 -0.147 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -1.175 -1.440 -1.552 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -0.852 -3.157 0.259 1.00 0.00 C ATOM 0 H LEU A 64 -1.070 -2.134 2.912 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.213 0.300 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.321 0.213 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.291 -0.852 1.241 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.645 -2.094 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.373 -2.250 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.752 -0.561 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.112 -1.198 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.072 -3.944 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.223 -2.976 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.189 -3.468 1.248 1.00 0.00 H new ATOM 1050 N MET A 65 -4.251 -2.037 1.461 1.00 0.00 N ATOM 1051 CA MET A 65 -5.662 -2.378 1.190 1.00 0.00 C ATOM 1052 C MET A 65 -6.624 -1.455 1.966 1.00 0.00 C ATOM 1053 O MET A 65 -7.230 -0.566 1.371 1.00 0.00 O ATOM 1054 CB MET A 65 -5.871 -3.863 1.533 1.00 0.00 C ATOM 1055 CG MET A 65 -7.312 -4.363 1.348 1.00 0.00 C ATOM 1056 SD MET A 65 -8.468 -3.918 2.697 1.00 0.00 S ATOM 1057 CE MET A 65 -10.023 -4.274 1.911 1.00 0.00 C ATOM 0 H MET A 65 -3.674 -2.861 1.633 1.00 0.00 H new ATOM 0 HA MET A 65 -5.889 -2.220 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.209 -4.464 0.910 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.572 -4.029 2.568 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.701 -3.964 0.411 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.294 -5.448 1.249 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.838 -4.056 2.601 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.129 -3.658 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.057 -5.327 1.631 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.568 -1.527 3.295 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.425 -0.702 4.169 1.00 0.00 C ATOM 1069 C GLU A 66 -6.847 0.709 4.356 1.00 0.00 C ATOM 1070 O GLU A 66 -7.599 1.662 4.538 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.623 -1.388 5.519 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.906 -0.907 6.205 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.886 -2.060 6.438 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -10.150 -2.808 5.470 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.336 -2.175 7.598 1.00 0.00 O ATOM 0 H GLU A 66 -5.937 -2.149 3.800 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.395 -0.597 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.667 -2.468 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.766 -1.185 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.657 -0.442 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.382 -0.142 5.592 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.540 0.844 4.158 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.836 2.138 4.195 1.00 0.00 C ATOM 1084 C ALA A 67 -5.271 3.084 3.061 1.00 0.00 C ATOM 1085 O ALA A 67 -4.981 4.270 3.119 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.326 1.905 4.165 1.00 0.00 C ATOM 0 H ALA A 67 -4.925 0.054 3.964 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.108 2.634 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.809 2.864 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.032 1.310 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.058 1.374 3.251 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.841 2.517 1.994 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.485 3.267 0.897 1.00 0.00 C ATOM 1094 C GLN A 68 -8.019 3.138 0.929 1.00 0.00 C ATOM 1095 O GLN A 68 -8.734 4.081 0.581 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.945 2.731 -0.433 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.552 3.412 -1.668 1.00 0.00 C ATOM 1098 CD GLN A 68 -6.019 4.802 -2.001 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -4.922 5.216 -1.657 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -6.785 5.532 -2.774 1.00 0.00 N ATOM 0 H GLN A 68 -5.872 1.506 1.860 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.252 4.325 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.863 2.860 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.139 1.660 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.388 2.766 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.630 3.484 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.700 5.184 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.466 6.448 -3.090 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.520 1.959 1.297 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.967 1.734 1.482 1.00 0.00 C ATOM 1111 C GLU A 69 -10.563 2.535 2.654 1.00 0.00 C ATOM 1112 O GLU A 69 -11.777 2.720 2.739 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.279 0.251 1.649 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.547 -0.064 0.855 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.529 -0.894 1.680 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -13.264 -0.268 2.474 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.513 -2.131 1.509 1.00 0.00 O ATOM 0 H GLU A 69 -7.946 1.135 1.476 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.442 2.100 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.447 -0.355 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.420 0.009 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.025 0.866 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.284 -0.606 -0.054 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.670 3.170 3.413 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.018 4.160 4.439 1.00 0.00 C ATOM 1126 C TRP A 70 -10.735 5.362 3.818 1.00 0.00 C ATOM 1127 O TRP A 70 -11.133 6.230 4.567 1.00 0.00 O ATOM 1128 CB TRP A 70 -8.759 4.641 5.169 1.00 0.00 C ATOM 1129 CG TRP A 70 -7.819 5.550 4.353 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -7.800 5.785 3.039 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -6.727 6.182 4.878 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -6.737 6.499 2.710 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -6.045 6.755 3.795 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -6.169 6.168 6.142 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -4.783 7.266 3.972 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -4.920 6.697 6.318 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -4.232 7.230 5.225 1.00 0.00 C ATOM 0 H TRP A 70 -8.666 3.010 3.333 1.00 0.00 H new ATOM 0 HA TRP A 70 -10.688 3.679 5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.065 5.178 6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.195 3.768 5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -8.549 5.440 2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -6.494 6.802 1.767 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -6.710 5.747 6.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.237 7.687 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.467 6.703 7.298 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.238 7.625 5.373 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.850 5.434 2.485 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.588 6.480 1.758 1.00 0.00 C ATOM 1150 C CYS A 71 -12.937 6.766 2.427 1.00 0.00 C ATOM 1151 O CYS A 71 -13.115 7.882 2.862 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.783 6.075 0.295 1.00 0.00 C ATOM 1153 SG CYS A 71 -12.701 4.506 0.086 1.00 0.00 S ATOM 0 H CYS A 71 -10.421 4.748 1.864 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.999 7.397 1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.316 6.870 -0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.807 5.981 -0.181 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.423 3.706 1.072 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.615 5.716 2.903 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.853 5.864 3.704 1.00 0.00 C ATOM 1161 C ARG A 72 -14.695 6.758 4.947 1.00 0.00 C ATOM 1162 O ARG A 72 -15.440 7.731 5.138 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.323 4.484 4.154 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.758 4.268 3.682 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.433 3.154 4.479 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.999 3.691 5.731 1.00 0.00 N ATOM 1167 CZ ARG A 72 -18.626 2.976 6.669 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -18.712 1.656 6.592 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -19.158 3.574 7.725 1.00 0.00 N ATOM 0 H ARG A 72 -13.333 4.748 2.751 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.580 6.353 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.672 3.712 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.268 4.403 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.324 5.193 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.762 4.016 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.222 2.697 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.710 2.370 4.705 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.903 4.693 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.294 1.163 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.196 1.133 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.090 4.587 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.635 3.022 8.437 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.590 6.555 5.651 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.172 7.326 6.834 1.00 0.00 C ATOM 1185 C LYS A 73 -12.488 8.647 6.434 1.00 0.00 C ATOM 1186 O LYS A 73 -12.983 9.705 6.766 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.261 6.457 7.705 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.072 5.351 8.386 1.00 0.00 C ATOM 1189 CD LYS A 73 -12.201 4.324 9.110 1.00 0.00 C ATOM 1190 CE LYS A 73 -12.108 3.023 8.310 1.00 0.00 C ATOM 1191 NZ LYS A 73 -11.648 1.927 9.176 1.00 0.00 N ATOM 0 H LYS A 73 -12.926 5.819 5.410 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.055 7.599 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.474 6.016 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.771 7.074 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.761 5.802 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.678 4.841 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.202 4.733 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.617 4.120 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.082 2.777 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.420 3.150 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.589 1.049 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.710 2.158 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.320 1.798 9.959 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.571 8.603 5.477 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.889 9.779 4.901 1.00 0.00 C ATOM 1207 C TYR A 74 -11.839 10.768 4.186 1.00 0.00 C ATOM 1208 O TYR A 74 -11.454 11.895 3.893 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.795 9.274 3.953 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.790 10.372 3.615 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -8.135 11.067 4.627 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.473 10.634 2.287 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -7.176 12.010 4.314 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -7.494 11.557 1.971 1.00 0.00 C ATOM 1215 CZ TYR A 74 -6.848 12.255 2.984 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.877 13.147 2.683 1.00 0.00 O ATOM 0 H TYR A 74 -11.264 7.725 5.059 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.459 10.356 5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.275 8.433 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.251 8.903 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.377 10.868 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.995 10.113 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.680 12.558 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.232 11.735 0.939 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.771 13.199 1.710 1.00 0.00 H new ATOM 1226 N MET A 75 -13.049 10.306 3.885 1.00 0.00 N ATOM 1227 CA MET A 75 -14.150 11.080 3.280 1.00 0.00 C ATOM 1228 C MET A 75 -14.988 11.816 4.328 1.00 0.00 C ATOM 1229 O MET A 75 -15.120 13.033 4.258 1.00 0.00 O ATOM 1230 CB MET A 75 -15.071 10.183 2.443 1.00 0.00 C ATOM 1231 CG MET A 75 -14.485 9.934 1.055 1.00 0.00 C ATOM 1232 SD MET A 75 -15.643 10.430 -0.267 1.00 0.00 S ATOM 1233 CE MET A 75 -14.457 10.774 -1.548 1.00 0.00 C ATOM 0 H MET A 75 -13.310 9.336 4.061 1.00 0.00 H new ATOM 0 HA MET A 75 -13.677 11.819 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 75 -15.220 9.232 2.954 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.051 10.651 2.349 1.00 0.00 H new ATOM 0 HG2 MET A 75 -13.553 10.489 0.949 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.241 8.877 0.947 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.978 11.096 -2.449 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.783 11.564 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.883 9.873 -1.764 1.00 0.00 H new ATOM 1243 N LYS A 76 -15.560 11.056 5.261 1.00 0.00 N ATOM 1244 CA LYS A 76 -16.398 11.626 6.333 1.00 0.00 C ATOM 1245 C LYS A 76 -15.600 12.167 7.526 1.00 0.00 C ATOM 1246 O LYS A 76 -15.765 13.317 7.923 1.00 0.00 O ATOM 1247 CB LYS A 76 -17.410 10.566 6.752 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.818 11.062 6.436 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.756 9.881 6.190 1.00 0.00 C ATOM 1250 CE LYS A 76 -21.191 10.278 6.524 1.00 0.00 C ATOM 1251 NZ LYS A 76 -22.115 9.977 5.423 1.00 0.00 N ATOM 0 H LYS A 76 -15.462 10.042 5.302 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.909 12.505 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.214 9.632 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.316 10.358 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.192 11.666 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.795 11.706 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.690 9.564 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.453 9.031 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.513 9.751 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.229 11.344 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -23.079 10.262 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.823 10.499 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.098 8.956 5.225 1.00 0.00 H new ATOM 1265 N SER A 77 -14.638 11.371 7.976 1.00 0.00 N ATOM 1266 CA SER A 77 -13.700 11.747 9.049 1.00 0.00 C ATOM 1267 C SER A 77 -12.701 12.787 8.513 1.00 0.00 C ATOM 1268 O SER A 77 -12.428 13.753 9.221 1.00 0.00 O ATOM 1269 CB SER A 77 -12.986 10.500 9.594 1.00 0.00 C ATOM 1270 OG SER A 77 -12.270 10.732 10.808 1.00 0.00 O ATOM 0 H SER A 77 -14.478 10.433 7.608 1.00 0.00 H new ATOM 0 HA SER A 77 -14.248 12.195 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.723 9.715 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.293 10.130 8.839 1.00 0.00 H new ATOM 0 HG SER A 77 -11.842 9.900 11.100 1.00 0.00 H new ATOM 1276 N GLY A 78 -12.252 12.623 7.249 1.00 0.00 N ATOM 1277 CA GLY A 78 -11.312 13.541 6.558 1.00 0.00 C ATOM 1278 C GLY A 78 -10.212 14.114 7.460 1.00 0.00 C ATOM 1279 O GLY A 78 -9.806 15.266 7.346 1.00 0.00 O ATOM 0 H GLY A 78 -12.537 11.835 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.845 13.008 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.879 14.366 6.127 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.758 13.254 8.364 1.00 0.00 N ATOM 1284 CA ASN A 79 -8.869 13.661 9.450 1.00 0.00 C ATOM 1285 C ASN A 79 -7.615 12.803 9.374 1.00 0.00 C ATOM 1286 O ASN A 79 -7.662 11.582 9.176 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.600 13.499 10.792 1.00 0.00 C ATOM 1288 CG ASN A 79 -9.406 14.707 11.719 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -8.717 15.673 11.414 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -9.878 14.609 12.942 1.00 0.00 N ATOM 0 H ASN A 79 -9.993 12.261 8.367 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.582 14.709 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.664 13.355 10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.239 12.600 11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.670 15.334 13.629 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.452 13.808 13.204 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.506 13.484 9.628 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.171 12.855 9.724 1.00 0.00 C ATOM 1299 C VAL A 80 -5.147 11.753 10.807 1.00 0.00 C ATOM 1300 O VAL A 80 -4.299 10.879 10.732 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.057 13.908 9.919 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.645 13.307 9.991 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.058 14.920 8.768 1.00 0.00 C ATOM 0 H VAL A 80 -6.494 14.493 9.776 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.964 12.364 8.773 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.284 14.382 10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.916 14.106 10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.587 12.614 10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.429 12.774 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.266 15.652 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.888 14.399 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.021 15.430 8.733 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.198 11.662 11.623 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.413 10.596 12.628 1.00 0.00 C ATOM 1315 C LYS A 81 -6.346 9.171 12.053 1.00 0.00 C ATOM 1316 O LYS A 81 -5.917 8.236 12.722 1.00 0.00 O ATOM 1317 CB LYS A 81 -7.736 10.824 13.378 1.00 0.00 C ATOM 1318 CG LYS A 81 -7.866 12.238 13.966 1.00 0.00 C ATOM 1319 CD LYS A 81 -6.611 12.679 14.720 1.00 0.00 C ATOM 1320 CE LYS A 81 -6.697 14.111 15.240 1.00 0.00 C ATOM 1321 NZ LYS A 81 -5.471 14.370 16.004 1.00 0.00 N ATOM 0 H LYS A 81 -6.954 12.347 11.610 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.581 10.668 13.328 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.568 10.644 12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.820 10.094 14.183 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.069 12.945 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.721 12.269 14.641 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.442 12.004 15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.748 12.590 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.791 14.815 14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.577 14.239 15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.493 15.341 16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.406 13.697 16.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.644 14.256 15.383 1.00 0.00 H new ATOM 1335 N ASP A 82 -6.614 9.083 10.752 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.368 7.875 9.951 1.00 0.00 C ATOM 1337 C ASP A 82 -4.951 7.856 9.361 1.00 0.00 C ATOM 1338 O ASP A 82 -4.225 6.885 9.526 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.413 7.775 8.841 1.00 0.00 C ATOM 1340 CG ASP A 82 -8.465 6.720 9.183 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -8.064 5.545 9.334 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.640 7.127 9.274 1.00 0.00 O ATOM 0 H ASP A 82 -7.012 9.853 10.214 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.451 7.010 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.894 8.743 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.927 7.519 7.899 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.546 8.952 8.724 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.198 9.142 8.141 1.00 0.00 C ATOM 1349 C LEU A 83 -2.028 8.840 9.082 1.00 0.00 C ATOM 1350 O LEU A 83 -1.222 7.976 8.747 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.066 10.567 7.588 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.528 10.752 6.140 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -2.627 9.954 5.212 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -4.982 10.346 5.914 1.00 0.00 C ATOM 0 H LEU A 83 -5.154 9.760 8.590 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.124 8.401 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.640 11.241 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.022 10.872 7.661 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.460 11.818 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.957 10.087 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.600 10.305 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.677 8.898 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.245 10.502 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.109 9.293 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.631 10.952 6.546 1.00 0.00 H new ATOM 1366 N THR A 84 -2.134 9.339 10.314 1.00 0.00 N ATOM 1367 CA THR A 84 -1.235 9.037 11.458 1.00 0.00 C ATOM 1368 C THR A 84 -1.063 7.523 11.708 1.00 0.00 C ATOM 1369 O THR A 84 0.011 7.059 12.082 1.00 0.00 O ATOM 1370 CB THR A 84 -1.658 9.783 12.749 1.00 0.00 C ATOM 1371 OG1 THR A 84 -0.840 9.405 13.855 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.109 9.577 13.174 1.00 0.00 C ATOM 0 H THR A 84 -2.875 9.993 10.566 1.00 0.00 H new ATOM 0 HA THR A 84 -0.254 9.416 11.170 1.00 0.00 H new ATOM 0 HB THR A 84 -1.533 10.833 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.127 9.891 14.656 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.304 10.140 14.087 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.773 9.926 12.383 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.288 8.517 13.356 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.063 6.768 11.262 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.078 5.298 11.293 1.00 0.00 C ATOM 1382 C GLN A 85 -1.671 4.617 9.981 1.00 0.00 C ATOM 1383 O GLN A 85 -0.992 3.597 9.994 1.00 0.00 O ATOM 1384 CB GLN A 85 -3.448 4.778 11.725 1.00 0.00 C ATOM 1385 CG GLN A 85 -3.421 4.381 13.202 1.00 0.00 C ATOM 1386 CD GLN A 85 -2.396 3.282 13.518 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -1.697 2.714 12.687 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -2.286 2.949 14.778 1.00 0.00 N ATOM 0 H GLN A 85 -2.910 7.166 10.857 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.314 5.033 12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.205 5.545 11.561 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.728 3.919 11.115 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.196 5.262 13.804 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.413 4.039 13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.862 3.414 15.480 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.625 2.225 15.058 1.00 0.00 H new ATOM 1397 N ALA A 86 -1.977 5.226 8.840 1.00 0.00 N ATOM 1398 CA ALA A 86 -1.513 4.685 7.548 1.00 0.00 C ATOM 1399 C ALA A 86 0.003 4.723 7.431 1.00 0.00 C ATOM 1400 O ALA A 86 0.579 3.765 6.939 1.00 0.00 O ATOM 1401 CB ALA A 86 -1.999 5.472 6.364 1.00 0.00 C ATOM 0 H ALA A 86 -2.533 6.079 8.773 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.911 3.670 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.621 5.020 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.089 5.469 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.640 6.499 6.437 1.00 0.00 H new ATOM 1407 N TRP A 87 0.620 5.772 7.973 1.00 0.00 N ATOM 1408 CA TRP A 87 2.088 5.850 8.082 1.00 0.00 C ATOM 1409 C TRP A 87 2.628 4.643 8.853 1.00 0.00 C ATOM 1410 O TRP A 87 3.532 3.996 8.345 1.00 0.00 O ATOM 1411 CB TRP A 87 2.520 7.139 8.778 1.00 0.00 C ATOM 1412 CG TRP A 87 1.852 8.378 8.170 1.00 0.00 C ATOM 1413 CD1 TRP A 87 1.306 9.343 8.903 1.00 0.00 C ATOM 1414 CD2 TRP A 87 1.536 8.612 6.844 1.00 0.00 C ATOM 1415 NE1 TRP A 87 0.660 10.181 8.102 1.00 0.00 N ATOM 1416 CE2 TRP A 87 0.768 9.785 6.845 1.00 0.00 C ATOM 1417 CE3 TRP A 87 1.870 8.018 5.640 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 0.369 10.320 5.643 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 1.458 8.553 4.433 1.00 0.00 C ATOM 1420 CH2 TRP A 87 0.681 9.714 4.438 1.00 0.00 C ATOM 0 H TRP A 87 0.130 6.585 8.346 1.00 0.00 H new ATOM 0 HA TRP A 87 2.499 5.847 7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 87 2.272 7.078 9.838 1.00 0.00 H new ATOM 0 HB3 TRP A 87 3.603 7.242 8.709 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.377 9.431 9.977 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.153 11.011 8.411 1.00 0.00 H new ATOM 0 HE3 TRP A 87 2.465 7.117 5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.202 11.236 5.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 1.733 8.081 3.501 1.00 0.00 H new ATOM 0 HH2 TRP A 87 0.326 10.136 3.509 1.00 0.00 H new ATOM 1431 N ASP A 88 1.815 4.155 9.789 1.00 0.00 N ATOM 1432 CA ASP A 88 2.104 2.932 10.547 1.00 0.00 C ATOM 1433 C ASP A 88 1.845 1.689 9.681 1.00 0.00 C ATOM 1434 O ASP A 88 2.752 0.891 9.595 1.00 0.00 O ATOM 1435 CB ASP A 88 1.296 2.901 11.847 1.00 0.00 C ATOM 1436 CG ASP A 88 1.870 1.943 12.897 1.00 0.00 C ATOM 1437 OD1 ASP A 88 3.109 1.957 13.065 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.056 1.260 13.557 1.00 0.00 O ATOM 0 H ASP A 88 0.932 4.597 10.046 1.00 0.00 H new ATOM 0 HA ASP A 88 3.159 2.927 10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.257 3.906 12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.270 2.609 11.622 1.00 0.00 H new ATOM 1443 N LEU A 89 0.775 1.627 8.882 1.00 0.00 N ATOM 1444 CA LEU A 89 0.507 0.490 7.968 1.00 0.00 C ATOM 1445 C LEU A 89 1.527 0.379 6.824 1.00 0.00 C ATOM 1446 O LEU A 89 2.171 -0.655 6.648 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.914 0.574 7.394 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.989 0.214 8.425 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.365 0.633 7.904 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.994 -1.293 8.708 1.00 0.00 C ATOM 0 H LEU A 89 0.065 2.358 8.844 1.00 0.00 H new ATOM 0 HA LEU A 89 0.605 -0.412 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.094 1.584 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.997 -0.097 6.539 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.764 0.744 9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.127 0.375 8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.376 1.709 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.574 0.113 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.766 -1.523 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.199 -1.836 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.021 -1.593 9.098 1.00 0.00 H new ATOM 1462 N TYR A 90 1.786 1.516 6.191 1.00 0.00 N ATOM 1463 CA TYR A 90 2.798 1.687 5.135 1.00 0.00 C ATOM 1464 C TYR A 90 4.205 1.364 5.634 1.00 0.00 C ATOM 1465 O TYR A 90 4.884 0.584 4.979 1.00 0.00 O ATOM 1466 CB TYR A 90 2.770 3.123 4.606 1.00 0.00 C ATOM 1467 CG TYR A 90 1.419 3.519 4.017 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.646 2.642 3.262 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.963 4.812 4.224 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.530 3.063 2.680 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.238 5.227 3.688 1.00 0.00 C ATOM 1472 CZ TYR A 90 -0.988 4.356 2.903 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.119 4.765 2.293 1.00 0.00 O ATOM 0 H TYR A 90 1.285 2.379 6.400 1.00 0.00 H new ATOM 0 HA TYR A 90 2.551 0.988 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.021 3.807 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.540 3.238 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.971 1.621 3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.554 5.500 4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.094 2.390 2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.597 6.228 3.877 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.894 4.517 2.840 1.00 0.00 H new ATOM 1483 N TYR A 91 4.561 1.859 6.816 1.00 0.00 N ATOM 1484 CA TYR A 91 5.851 1.586 7.481 1.00 0.00 C ATOM 1485 C TYR A 91 5.974 0.159 8.043 1.00 0.00 C ATOM 1486 O TYR A 91 6.965 -0.530 7.799 1.00 0.00 O ATOM 1487 CB TYR A 91 6.032 2.615 8.597 1.00 0.00 C ATOM 1488 CG TYR A 91 7.383 2.541 9.279 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.523 2.891 8.568 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.468 2.144 10.610 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.755 2.840 9.181 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.700 2.096 11.227 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.845 2.454 10.518 1.00 0.00 C ATOM 1494 OH TYR A 91 11.046 2.480 11.136 1.00 0.00 O ATOM 0 H TYR A 91 3.955 2.475 7.357 1.00 0.00 H new ATOM 0 HA TYR A 91 6.637 1.667 6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.898 3.614 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.250 2.471 9.342 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.444 3.202 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.575 1.875 11.156 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.647 3.098 8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.777 1.782 12.257 1.00 0.00 H new ATOM 0 HH TYR A 91 10.943 2.184 12.064 1.00 0.00 H new ATOM 1504 N HIS A 92 4.906 -0.303 8.689 1.00 0.00 N ATOM 1505 CA HIS A 92 4.801 -1.656 9.270 1.00 0.00 C ATOM 1506 C HIS A 92 5.014 -2.689 8.163 1.00 0.00 C ATOM 1507 O HIS A 92 5.912 -3.517 8.281 1.00 0.00 O ATOM 1508 CB HIS A 92 3.431 -1.872 9.927 1.00 0.00 C ATOM 1509 CG HIS A 92 3.268 -3.244 10.584 1.00 0.00 C ATOM 1510 ND1 HIS A 92 3.748 -3.590 11.773 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.604 -4.273 10.076 1.00 0.00 C ATOM 1512 CE1 HIS A 92 3.390 -4.856 11.995 1.00 0.00 C ATOM 1513 NE2 HIS A 92 2.682 -5.273 10.950 1.00 0.00 N ATOM 0 H HIS A 92 4.066 0.259 8.831 1.00 0.00 H new ATOM 0 HA HIS A 92 5.564 -1.768 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.274 -1.099 10.679 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.654 -1.746 9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.093 -4.295 9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.633 -5.440 12.871 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.270 -6.199 10.838 1.00 0.00 H new ATOM 1521 N VAL A 93 4.420 -2.401 7.008 1.00 0.00 N ATOM 1522 CA VAL A 93 4.565 -3.264 5.834 1.00 0.00 C ATOM 1523 C VAL A 93 5.861 -2.989 5.065 1.00 0.00 C ATOM 1524 O VAL A 93 6.447 -3.934 4.559 1.00 0.00 O ATOM 1525 CB VAL A 93 3.320 -3.207 4.952 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.293 -2.065 3.928 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.080 -4.593 4.354 1.00 0.00 C ATOM 0 H VAL A 93 3.835 -1.579 6.858 1.00 0.00 H new ATOM 0 HA VAL A 93 4.652 -4.291 6.188 1.00 0.00 H new ATOM 0 HB VAL A 93 2.474 -2.943 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.368 -2.114 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.347 -1.109 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.145 -2.160 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.193 -4.568 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.944 -4.886 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.932 -5.315 5.157 1.00 0.00 H new ATOM 1537 N PHE A 94 6.272 -1.727 4.976 1.00 0.00 N ATOM 1538 CA PHE A 94 7.553 -1.295 4.386 1.00 0.00 C ATOM 1539 C PHE A 94 8.719 -2.223 4.757 1.00 0.00 C ATOM 1540 O PHE A 94 9.690 -2.276 4.019 1.00 0.00 O ATOM 1541 CB PHE A 94 7.839 0.140 4.854 1.00 0.00 C ATOM 1542 CG PHE A 94 9.242 0.643 4.542 1.00 0.00 C ATOM 1543 CD1 PHE A 94 10.269 0.390 5.452 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.514 1.258 3.327 1.00 0.00 C ATOM 1545 CE1 PHE A 94 11.565 0.750 5.139 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.809 1.625 3.019 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.842 1.374 3.927 1.00 0.00 C ATOM 0 H PHE A 94 5.712 -0.947 5.320 1.00 0.00 H new ATOM 0 HA PHE A 94 7.465 -1.337 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 94 7.116 0.810 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.679 0.195 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.051 -0.085 6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.715 1.449 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.364 0.547 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.024 2.106 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.854 1.664 3.688 1.00 0.00 H new ATOM 1557 N ARG A 95 8.650 -2.782 5.965 1.00 0.00 N ATOM 1558 CA ARG A 95 9.568 -3.821 6.466 1.00 0.00 C ATOM 1559 C ARG A 95 9.103 -5.273 6.229 1.00 0.00 C ATOM 1560 O ARG A 95 9.895 -6.108 5.794 1.00 0.00 O ATOM 1561 CB ARG A 95 9.778 -3.543 7.953 1.00 0.00 C ATOM 1562 CG ARG A 95 11.179 -3.004 8.234 1.00 0.00 C ATOM 1563 CD ARG A 95 12.168 -4.160 8.370 1.00 0.00 C ATOM 1564 NE ARG A 95 13.021 -3.880 9.535 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.835 -4.741 10.152 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.941 -6.006 9.772 1.00 0.00 N ATOM 1567 NH2 ARG A 95 14.540 -4.342 11.199 1.00 0.00 N ATOM 0 H ARG A 95 7.936 -2.522 6.646 1.00 0.00 H new ATOM 0 HA ARG A 95 10.497 -3.757 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.035 -2.823 8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.620 -4.460 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.491 -2.341 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.172 -2.411 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.638 -5.104 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.772 -4.256 7.467 1.00 0.00 H new ATOM 0 HE ARG A 95 12.988 -2.932 9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.391 -6.350 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.573 -6.636 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.460 -3.381 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.163 -4.996 11.673 1.00 0.00 H new ATOM 1581 N ARG A 96 7.802 -5.520 6.381 1.00 0.00 N ATOM 1582 CA ARG A 96 7.117 -6.813 6.128 1.00 0.00 C ATOM 1583 C ARG A 96 7.221 -7.273 4.660 1.00 0.00 C ATOM 1584 O ARG A 96 7.995 -8.173 4.347 1.00 0.00 O ATOM 1585 CB ARG A 96 5.635 -6.704 6.512 1.00 0.00 C ATOM 1586 CG ARG A 96 5.387 -6.384 7.985 1.00 0.00 C ATOM 1587 CD ARG A 96 5.645 -7.585 8.882 1.00 0.00 C ATOM 1588 NE ARG A 96 5.859 -7.137 10.263 1.00 0.00 N ATOM 1589 CZ ARG A 96 5.839 -7.932 11.336 1.00 0.00 C ATOM 1590 NH1 ARG A 96 5.421 -9.187 11.253 1.00 0.00 N ATOM 1591 NH2 ARG A 96 6.172 -7.459 12.525 1.00 0.00 N ATOM 0 H ARG A 96 7.156 -4.798 6.699 1.00 0.00 H new ATOM 0 HA ARG A 96 7.622 -7.558 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.170 -5.930 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.139 -7.643 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.031 -5.559 8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.358 -6.049 8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.799 -8.271 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.518 -8.134 8.529 1.00 0.00 H new ATOM 0 HE ARG A 96 6.036 -6.144 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.107 -9.562 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.413 -9.778 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.446 -6.482 12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.155 -8.071 13.341 1.00 0.00 H new ATOM 1605 N ILE A 97 6.571 -6.529 3.761 1.00 0.00 N ATOM 1606 CA ILE A 97 6.646 -6.748 2.294 1.00 0.00 C ATOM 1607 C ILE A 97 8.060 -6.498 1.732 1.00 0.00 C ATOM 1608 O ILE A 97 8.318 -6.707 0.555 1.00 0.00 O ATOM 1609 CB ILE A 97 5.624 -5.931 1.476 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.649 -4.442 1.826 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.222 -6.539 1.580 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.705 -3.532 0.608 1.00 0.00 C ATOM 0 H ILE A 97 5.969 -5.748 4.022 1.00 0.00 H new ATOM 0 HA ILE A 97 6.390 -7.801 2.177 1.00 0.00 H new ATOM 0 HB ILE A 97 5.924 -5.990 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.761 -4.199 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.513 -4.241 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.523 -5.943 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.239 -7.559 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.906 -6.548 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.720 -2.491 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.607 -3.747 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.828 -3.705 -0.016 1.00 0.00 H new ATOM 1624 N SER A 98 8.901 -5.862 2.544 1.00 0.00 N ATOM 1625 CA SER A 98 10.333 -5.686 2.238 1.00 0.00 C ATOM 1626 C SER A 98 11.090 -7.002 2.384 1.00 0.00 C ATOM 1627 O SER A 98 11.766 -7.428 1.450 1.00 0.00 O ATOM 1628 CB SER A 98 10.953 -4.654 3.180 1.00 0.00 C ATOM 1629 OG SER A 98 12.381 -4.649 3.228 1.00 0.00 O ATOM 0 H SER A 98 8.617 -5.452 3.434 1.00 0.00 H new ATOM 0 HA SER A 98 10.410 -5.342 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.613 -3.663 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.573 -4.831 4.186 1.00 0.00 H new ATOM 0 HG SER A 98 12.685 -3.958 3.853 1.00 0.00 H new ATOM 1635 N LYS A 99 10.967 -7.582 3.581 1.00 0.00 N ATOM 1636 CA LYS A 99 11.752 -8.751 4.015 1.00 0.00 C ATOM 1637 C LYS A 99 13.265 -8.454 4.008 1.00 0.00 C ATOM 1638 O LYS A 99 14.083 -9.284 3.611 1.00 0.00 O ATOM 1639 CB LYS A 99 11.388 -9.974 3.157 1.00 0.00 C ATOM 1640 CG LYS A 99 10.145 -10.733 3.634 1.00 0.00 C ATOM 1641 CD LYS A 99 10.543 -11.889 4.559 1.00 0.00 C ATOM 1642 CE LYS A 99 10.704 -11.471 6.021 1.00 0.00 C ATOM 1643 NZ LYS A 99 11.632 -12.377 6.712 1.00 0.00 N ATOM 0 H LYS A 99 10.311 -7.251 4.289 1.00 0.00 H new ATOM 0 HA LYS A 99 11.496 -8.981 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.228 -9.647 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.235 -10.660 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.476 -10.052 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.596 -11.119 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.788 -12.672 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.480 -12.320 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.076 -10.448 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.734 -11.484 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.732 -12.081 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.261 -13.348 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.561 -12.344 6.246 1.00 0.00 H new